2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C21H24N6O2 — CID 55602441

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(16-27-21(29)18-8-4-5-9-19(18)23-24-27)22-10-11-25-12-14-26(15-13-25)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,28)
InChIKeyBUVSIZLGRWBWLY-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.73
Rot. Bonds6

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 55602441) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID55602441
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(16-27-21(29)18-8-4-5-9-19(18)23-24-27)22-10-11-25-12-14-26(15-13-25)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,28)
InChIKeyBUVSIZLGRWBWLY-UHFFFAOYSA-N
XLogP0.73
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24516091
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 135410394
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391217
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 127848801

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 55602441) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is O=C(Cn1nnc2ccccc2c1=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is BUVSIZLGRWBWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(16-27-21(29)18-8-4-5-9-19(18)23-24-27)22-10-11-25-12-14-26(15-13-25)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,28).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 55602441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).